[gmx-users] multidir, Segmentation fault

[Tamas Hegedus]

Hi,

I ran two equilibration simulations to generate two production tpr with 
different velocities.
mdrun_mpi runs fine with each tpr (no explosion, the systems are stable).
However, if I set the multidir option, I get segmentation fault.
My system: Debian Buster, GROMACS 2018.6

Thanks for your suggestions,
Tamas

[myhost:39226] Signal: Segmentation fault (11)
[myhost:39226] Signal code: Address not mapped (1)
[myhost:39226] Failing at address: 0x7f94b42e0008
[myhost:39226] [ 0] 
/lib/x86_64-linux-gnu/libpthread.so.0(+0x12730)[0x7f94ab991730]
[myhost:39226] [ 1] 
/usr/lib/x86_64-linux-gnu/pmix/lib/pmix/mca_gds_ds21.so(+0x2936)[0x7f94a9f72936]
[myhost:39226] [ 2] 
/usr/lib/x86_64-linux-gnu/libmca_common_dstore.so.1(pmix_common_dstor_init+0x9d3)[0x7f94a9f62733]
[myhost:39226] [ 3] 
/usr/lib/x86_64-linux-gnu/pmix/lib/pmix/mca_gds_ds21.so(+0x25b4)[0x7f94a9f725b4]
[myhost:39226] [ 4] 
/usr/lib/x86_64-linux-gnu/libpmix.so.2(pmix_gds_base_select+0x12e)[0x7f94aa0a946e]
[myhost:39226] [ 5] 
/usr/lib/x86_64-linux-gnu/libpmix.so.2(pmix_rte_init+0x8cd)[0x7f94aa06188d]
[myhost:39226] [ 6] 
/usr/lib/x86_64-linux-gnu/libpmix.so.2(PMIx_Init+0xdc)[0x7f94aa01dd7c]
[myhost:39226] [ 7] 
/usr/lib/x86_64-linux-gnu/openmpi/lib/openmpi3/mca_pmix_ext2x.so(ext2x_client_init+0xc4)[0x7f94aa113fe4]
[myhost:39226] [ 8] 
/usr/lib/x86_64-linux-gnu/openmpi/lib/openmpi3/mca_ess_pmi.so(+0x2656)[0x7f94aade3656]
[myhost:39226] [ 9] 
/usr/lib/x86_64-linux-gnu/libopen-rte.so.40(orte_init+0x29a)[0x7f94aaedc11a]
[myhost:39226] [10] 
/usr/lib/x86_64-linux-gnu/libmpi.so.40(ompi_mpi_init+0x252)[0x7f94abbbbe62]
[myhost:39226] [11] 
/usr/lib/x86_64-linux-gnu/libmpi.so.40(PMPI_Init_thread+0x55)[0x7f94abbea2d5]
[myhost:39226] [12] 
/opt/gromacs-2018.6/bin/mdrun_mpi(+0x41e585)[0x55efb99a9585]
[myhost:39226] [13] 
/opt/gromacs-2018.6/bin/mdrun_mpi(+0x3da4d9)[0x55efb99654d9]
[myhost:39226] [14] 
/opt/gromacs-2018.6/bin/mdrun_mpi(+0xff6f9)[0x55efb968a6f9]
[myhost:39226] [15] 
/opt/gromacs-2018.6/bin/mdrun_mpi(+0xff919)[0x55efb968a919]
[myhost:39226] [16] 
/lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xeb)[0x7f94ab7e209b]
[myhost:39226] [17] 
/opt/gromacs-2018.6/bin/mdrun_mpi(+0xd4b7a)[0x55efb965fb7a]
[myhost:39226] *** End of error message ***


-- 
Tamas Hegedus, PhD
Senior Research Fellow
Department of Biophysics and Radiation Biology
Semmelweis University     | phone: (36) 1-459 1500/60233
Tuzolto utca 37-47        | mailto:tamas at hegelab.org
Budapest, 1094, Hungary   | http://www.hegelab.org